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Chemical ID: 6399634
Chemical ID:
6399634
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-methoxy-benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)c2ccccc2OC)C
InChi [?]:
InChI=1/C13H14N2O2S/c1-8-9(2)18-13(14-8)15-12(16)10-6-4-5-7-11(10)17-3/h4-7H,1-3H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,17,12,13,11,14,2,3,10,15,8,5,6,7,9,16,4/rA:18nCCCSCNNCOCCCCCCOCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.51007 |
Area: | 444.397 |
Solvation: | -4.59986 |
Coulombic: | -32.3108 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 262.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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